SCHEMBL23959792

SCHEMBL23959792

CCC(C#N)C1=CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.36
SPR P35270 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL826063 0.81 CTSK (0.33) CTSK
SCHEMBL8521331 0.75 CTSK (0.35) CTSK
SCHEMBL2690540 0.74 KMT2A (0.31) CTSK
SCHEMBL8671705 0.74 KMT2A (0.34) CTSK
SCHEMBL28941422 0.74 CTSK (0.33) CTSK
SCHEMBL29061984 0.74 CTSK (0.32) CTSK
SCHEMBL11867771 0.74 CTSC (0.36) CTSK
SCHEMBL4744556 0.72 KMT2A (0.33)
SCHEMBL18549951 0.71
SCHEMBL5812640 0.71 CTSK (0.32) CTSK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021214278-A2 REGIOSELECTIVE OXIDATION OF HETEROCYCLIC ALPHA-AMINO AMIDES PHARMAZELL GMBH (DE) 2021-10-28 WO disclosed